Basic information
- CAS
89035-73-4- Standard SMILES
CCCCCCc1ccc(OC(=O)c2ccc(N=C(N)N)cc2)cc1O- InChIKey
XEIIETAXJGZDQU-UHFFFAOYSA-N- Molecular formula
- C20H25N3O3
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.18959167
Names & identifiers
- Preferred name
- Benzoic acid, 4-((aminoiminomethyl)amino)-, 4-hexyl-3-hydroxyphenyl ester
- IUPAC
- (4-hexyl-3-hydroxyphenyl) 4-(diaminomethylideneamino)benzoate
Names & synonyms
BENZOIC ACID, 4-((AMINOIMINOMETHYL)AMINO)-, 4-HEXYL-3-HYDROXYPHENYL ESTER89035-73-4DTXSID00237495RefChem:1079103DTXCID00159986NIOSH/DH1421800DH142180003'-Hydroxy-4'-hexylphenyl 4-guanidinobenzoatep-Guanidinobenzoic acid 4-hexyl-3-hydroxyphenyl esterBenzoic acid, p-guanidino-, 4-hexyl-3-hydroxyphenyl esterBRN 56088024-((Aminoiminomethyl)amino)benzoic acid 4-hexyl-3-hydroxyphenyl ester
Show more names
CHEMBL440176SCHEMBL73210154-Hexyl-3-hydroxyphenyl 4-[(diaminomethylidene)amino]benzoate
Database identifiers
- CAS
89035-73-4- PubChem CID
- 55908
- DTXSID
DTXSID00237495- ChEMBL
CHEMBL440176
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 457
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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